[
  {
    "molid": "mol34108",
    "smiles": "NC(COP(=O)(O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](COP(=O)([O-])O)C(=O)O",
        "std_free_energy": -5.245683193206787,
        "relative_population": 0.2742394736193329
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](COP(=O)(O)O)C(=O)[O-]",
        "std_free_energy": -6.218034744262695,
        "relative_population": 0.7251316807967801
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@H](COP(=O)(O)O)C(=O)O",
        "std_free_energy": 2.4099504947662354,
        "relative_population": 0.9439514386512068
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[NH3+][C@H](COP(=O)([O-])[O-])C(=O)[O-]",
        "std_free_energy": -14.591837882995605,
        "relative_population": 0.9891974487982644
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "N[C@H](COP(=O)([O-])[O-])C(=O)[O-]",
        "std_free_energy": -8.810733795166016,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[NH3+][C@H](COP(=O)([O-])O)C(=O)[O-]",
        "std_free_energy": -12.876612663269043,
        "relative_population": 0.9837734396941755
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0699999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.67000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]